(7R)-2-(5-tert-butyl-1,5-dimethylcyclooctyl)-7-hydroxy-1,1-dimethyl-5,6,7,8-tetrahydro-2H-pyrrolizin-3-one

C23H41NO2 — CID 167278973

IUPAC(7R)-2-(5-tert-butyl-1,5-dimethylcyclooctyl)-7-hydroxy-1,1-dimethyl-5,6,7,8-tetrahydro-2H-pyrrolizin-3-one
SMILESCC1(C2C(=O)N3CC[C@@H](O)C3C2(C)C)CCCC(C)(C(C)(C)C)CCC1
InChIInChI=1S/C23H41NO2/c1-20(2,3)23(7)13-8-11-22(6,12-9-14-23)17-19(26)24-15-10-16(25)18(24)21(17,4)5/h16-18,25H,8-15H2,1-7H3/t16-,17?,18?,22?,23?/m1/s1
InChIKeyBIDXSVZCVSMABX-RZXBYNTASA-N
MW363.59 g/mol
LogP5.02
Rot. Bonds1

About (7R)-2-(5-tert-butyl-1,5-dimethylcyclooctyl)-7-hydroxy-1,1-dimethyl-5,6,7,8-tetrahydro-2H-pyrrolizin-3-one

(7R)-2-(5-tert-butyl-1,5-dimethylcyclooctyl)-7-hydroxy-1,1-dimethyl-5,6,7,8-tetrahydro-2H-pyrrolizin-3-one (PubChem CID 167278973) has the molecular formula C23H41NO2 and a molecular weight of 363.59 g/mol. Its IUPAC name is (7R)-2-(5-tert-butyl-1,5-dimethylcyclooctyl)-7-hydroxy-1,1-dimethyl-5,6,7,8-tetrahydro-2H-pyrrolizin-3-one.

Molecular Properties

Compound Name(7R)-2-(5-tert-butyl-1,5-dimethylcyclooctyl)-7-hydroxy-1,1-dimethyl-5,6,7,8-tetrahydro-2H-pyrrolizin-3-one
PubChem CID167278973
Molecular FormulaC23H41NO2
Molecular Weight363.59 g/mol
Exact Mass363.31
IUPAC Name(7R)-2-(5-tert-butyl-1,5-dimethylcyclooctyl)-7-hydroxy-1,1-dimethyl-5,6,7,8-tetrahydro-2H-pyrrolizin-3-one
SMILESCC1(C2C(=O)N3CC[C@@H](O)C3C2(C)C)CCCC(C)(C(C)(C)C)CCC1
InChIInChI=1S/C23H41NO2/c1-20(2,3)23(7)13-8-11-22(6,12-9-14-23)17-19(26)24-15-10-16(25)18(24)21(17,4)5/h16-18,25H,8-15H2,1-7H3/t16-,17?,18?,22?,23?/m1/s1
InChIKeyBIDXSVZCVSMABX-RZXBYNTASA-N
XLogP5.02
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.59
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7R)-2-(5-tert-butyl-1,5-dimethylcyclooctyl)-7-hydroxy-1,1-dimethyl-5,6,7,8-tetrahydro-2H-pyrrolizin-3-one?
The IUPAC name of (7R)-2-(5-tert-butyl-1,5-dimethylcyclooctyl)-7-hydroxy-1,1-dimethyl-5,6,7,8-tetrahydro-2H-pyrrolizin-3-one (CID 167278973) is (7R)-2-(5-tert-butyl-1,5-dimethylcyclooctyl)-7-hydroxy-1,1-dimethyl-5,6,7,8-tetrahydro-2H-pyrrolizin-3-one.
What is the SMILES notation for (7R)-2-(5-tert-butyl-1,5-dimethylcyclooctyl)-7-hydroxy-1,1-dimethyl-5,6,7,8-tetrahydro-2H-pyrrolizin-3-one?
The canonical SMILES for (7R)-2-(5-tert-butyl-1,5-dimethylcyclooctyl)-7-hydroxy-1,1-dimethyl-5,6,7,8-tetrahydro-2H-pyrrolizin-3-one is CC1(C2C(=O)N3CC[C@@H](O)C3C2(C)C)CCCC(C)(C(C)(C)C)CCC1.
What is the InChIKey of (7R)-2-(5-tert-butyl-1,5-dimethylcyclooctyl)-7-hydroxy-1,1-dimethyl-5,6,7,8-tetrahydro-2H-pyrrolizin-3-one?
The InChIKey is BIDXSVZCVSMABX-RZXBYNTASA-N. The full InChI is InChI=1S/C23H41NO2/c1-20(2,3)23(7)13-8-11-22(6,12-9-14-23)17-19(26)24-15-10-16(25)18(24)21(17,4)5/h16-18,25H,8-15H2,1-7H3/t16-,17?,18?,22?,23?/m1/s1.
What are the key properties of (7R)-2-(5-tert-butyl-1,5-dimethylcyclooctyl)-7-hydroxy-1,1-dimethyl-5,6,7,8-tetrahydro-2H-pyrrolizin-3-one?
(7R)-2-(5-tert-butyl-1,5-dimethylcyclooctyl)-7-hydroxy-1,1-dimethyl-5,6,7,8-tetrahydro-2H-pyrrolizin-3-one has a molecular weight of 363.59 g/mol, XLogP of 5.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2-(5-tert-butyl-1,5-dimethylcyclooctyl)-7-hydroxy-1,1-dimethyl-5,6,7,8-tetrahydro-2H-pyrrolizin-3-one is sourced from PubChem (CID 167278973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).